N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine

C17H25N3O — CID 106567227

IUPACN-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)CCc1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(13-21-3)19-17-18-11-12-20(17)15(2)9-10-16-7-5-4-6-8-16/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,18,19)
InChIKeyRGWMUBSAVCGCGT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.52
Rot. Bonds8

About N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine

N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine (PubChem CID 106567227) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine
PubChem CID106567227
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1C(C)CCc1ccccc1
InChIInChI=1S/C17H25N3O/c1-14(13-21-3)19-17-18-11-12-20(17)15(2)9-10-16-7-5-4-6-8-16/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,18,19)
InChIKeyRGWMUBSAVCGCGT-UHFFFAOYSA-N
XLogP3.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562209
N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567567
1-methyl-N-(4-phenylbutan-2-yl)imidazol-2-amine
CID 62133485
N-(1-methoxypropan-2-yl)-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106561999
1-(2-ethylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106559461
N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106571697
2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
N-(1-methoxypropan-2-yl)-1-[1-(5-methylthiophen-2-yl)ethyl]imidazol-2-amine
CID 106567986
1-(1-methoxypropan-2-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567569
N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylimidazol-2-amine
CID 106565449

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine (CID 106567227) is N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine is COCC(C)Nc1nccn1C(C)CCc1ccccc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine?
The InChIKey is RGWMUBSAVCGCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(13-21-3)19-17-18-11-12-20(17)15(2)9-10-16-7-5-4-6-8-16/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,18,19).
What are the key properties of N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine?
N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106567227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).